# --------------------------------------------------------------------------
#
# CIF file generated by openbabel 2.3.2 http://openbabel.org/
# to comply with the Macromolecular CIF Dictionary  (cif_mm.dic) version  2.0.11 http://mmcif.pdb.org/
# The contents of this file were derived from DEPA.gro
#
#---------------------------------------------------------------------------

data_DEPA

###########
## ENTRY ##
###########

_entry.id	DEPA

##############
## CHEMICAL ##
##############

_chemical.entry_id	DEPA
_chemical.name_common	'DEPA'

######################
## CHEMICAL FORMULA ##
######################

_chemical_formula.entry_id	DEPA
_chemical_formula.structural	'C47H91O8P'

###############
## ATOM_SITE ##
###############

loop_
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_comp_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
	1	P	P	DEPA	1	1
	15.58	14.94	62.44
	2	O	O13	DEPA	1	1
	15.54	14.46	63.84
	3	O	O14	DEPA	1	1
	14.87	14.2	61.39
	4	O	O12	DEPA	1	1
	14.86	16.3	62.54
	5	H	H12	DEPA	1	1
	13.91	16.16	62.48
	6	O	O11	DEPA	1	1
	16.97	15.38	61.96
	7	C	C1	DEPA	1	1
	17.98	15.82	62.84
	8	H	HA	DEPA	1	1
	17.91	15.35	63.86
	9	H	HB	DEPA	1	1
	17.89	16.92	62.96
	10	C	C2	DEPA	1	1
	19.34	15.45	62.2
	11	H	HS	DEPA	1	1
	20.15	15.95	62.77
	12	O	O21	DEPA	1	1
	19.35	15.85	60.82
	13	C	C21	DEPA	1	1
	19.61	17.08	60.55
	14	O	O22	DEPA	1	1
	19.97	17.96	61.34
	15	C	C22	DEPA	1	1
	19.45	17.34	59.06
	16	H	H2R	DEPA	1	1
	19.38	16.38	58.52
	17	H	H2S	DEPA	1	1
	20.37	17.86	58.73
	18	C	C3	DEPA	1	1
	19.63	13.92	62.22
	19	H	HX	DEPA	1	1
	19.77	13.62	63.28
	20	H	HY	DEPA	1	1
	20.59	13.74	61.68
	21	O	O31	DEPA	1	1
	18.57	13.1	61.67
	22	C	C31	DEPA	1	1
	18.59	12.93	60.35
	23	O	O32	DEPA	1	1
	19.49	13.28	59.61
	24	C	C32	DEPA	1	1
	17.41	12.06	59.92
	25	H	H2X	DEPA	1	1
	16.61	12.13	60.69
	26	H	H2Y	DEPA	1	1
	17.78	11.02	59.88
	27	C	C23	DEPA	1	1
	18.22	18.24	58.76
	28	H	H3R	DEPA	1	1
	18.32	18.59	57.7
	29	H	H3S	DEPA	1	1
	18.2	19.13	59.42
	30	C	C24	DEPA	1	1
	16.9	17.45	58.86
	31	H	H4R	DEPA	1	1
	16.56	17.36	59.91
	32	H	H4S	DEPA	1	1
	17.09	16.42	58.5
	33	C	C25	DEPA	1	1
	15.76	17.99	57.99
	34	H	H5R	DEPA	1	1
	14.85	17.36	58.15
	35	H	H5S	DEPA	1	1
	16.04	17.93	56.92
	36	C	C26	DEPA	1	1
	15.38	19.42	58.28
	37	H	H6R	DEPA	1	1
	16.18	20.12	57.95
	38	H	H6S	DEPA	1	1
	15.19	19.57	59.37
	39	C	C27	DEPA	1	1
	14.09	19.77	57.56
	40	H	H7R	DEPA	1	1
	14.14	20.87	57.67
	41	H	H7S	DEPA	1	1
	13.2	19.37	58.09
	42	C	C28	DEPA	1	1
	13.93	19.53	56.05
	43	H	H8R	DEPA	1	1
	12.85	19.67	55.8
	44	H	H8S	DEPA	1	1
	14.19	18.49	55.76
	45	C	C29	DEPA	1	1
	14.7	20.57	55.23
	46	H	H9R	DEPA	1	1
	15.78	20.54	55.52
	47	H	H9S	DEPA	1	1
	14.28	21.58	55.46
	48	C	C210	DEPA	1	1
	14.58	20.34	53.72
	49	H	H10R	DEPA	1	1
	14.9	21.26	53.19
	50	H	H10S	DEPA	1	1
	13.51	20.16	53.46
	51	C	C211	DEPA	1	1
	15.45	19.18	53.25
	52	H	H11R	DEPA	1	1
	15.21	18.23	53.78
	53	H	H11S	DEPA	1	1
	16.5	19.42	53.52
	54	C	C212	DEPA	1	1
	15.31	18.97	51.75
	55	H	H12R	DEPA	1	1
	16	18.17	51.42
	56	H	H12S	DEPA	1	1
	15.54	19.91	51.24
	57	C	C213	DEPA	1	1
	13.99	18.64	51.28
	58	H	H13R	DEPA	1	1
	13.4	18.08	52.03
	59	C	C214	DEPA	1	1
	13.52	18.9	50.05
	60	H	H14R	DEPA	1	1
	12.51	18.67	49.93
	61	C	C215	DEPA	1	1
	13.96	19.47	48.75
	62	H	H15R	DEPA	1	1
	14.73	20.11	49.11
	63	H	H15S	DEPA	1	1
	13.21	20.22	48.43
	64	C	C216	DEPA	1	1
	14.16	18.54	47.46
	65	H	H16R	DEPA	1	1
	13.21	17.99	47.34
	66	H	H16S	DEPA	1	1
	14.95	17.79	47.68
	67	C	C217	DEPA	1	1
	14.36	19.12	46
	68	H	H17R	DEPA	1	1
	15.22	19.64	45.67
	69	H	H17S	DEPA	1	1
	13.67	19.96	45.82
	70	C	C218	DEPA	1	1
	14.9	18.24	44.87
	71	H	H18R	DEPA	1	1
	15.04	17.23	45.27
	72	H	H18S	DEPA	1	1
	15.87	18.52	44.35
	73	C	C219	DEPA	1	1
	13.89	18.45	43.81
	74	H	H19R	DEPA	1	1
	14.26	18.35	42.77
	75	H	H19S	DEPA	1	1
	13.46	19.49	43.91
	76	C	C220	DEPA	1	1
	12.81	17.5	44.14
	77	H	H20R	DEPA	1	1
	12.51	17.64	45.19
	78	H	H20S	DEPA	1	1
	13.2	16.46	44.07
	79	C	C221	DEPA	1	1
	11.74	17.88	43.15
	80	H	H21R	DEPA	1	1
	11.8	18.94	42.86
	81	H	H21S	DEPA	1	1
	10.77	17.93	43.65
	82	C	C222	DEPA	1	1
	11.88	17.02	41.9
	83	H	H22R	DEPA	1	1
	10.91	16.64	41.55
	84	H	H22S	DEPA	1	1
	12.41	17.6	41.12
	85	H	H22T	DEPA	1	1
	12.56	16.16	42.07
	86	C	C33	DEPA	1	1
	16.86	12.5	58.55
	87	H	H3X	DEPA	1	1
	17.62	12.34	57.76
	88	H	H3Y	DEPA	1	1
	16.62	13.59	58.62
	89	C	C34	DEPA	1	1
	15.55	11.79	58.18
	90	H	H4X	DEPA	1	1
	14.88	11.83	59.08
	91	H	H4Y	DEPA	1	1
	15.74	10.71	57.98
	92	C	C35	DEPA	1	1
	14.8	12.45	57.01
	93	H	H5X	DEPA	1	1
	14.57	13.49	57.32
	94	H	H5Y	DEPA	1	1
	13.83	11.91	56.88
	95	C	C36	DEPA	1	1
	15.54	12.49	55.67
	96	H	H6X	DEPA	1	1
	15.31	11.53	55.14
	97	H	H6Y	DEPA	1	1
	16.64	12.54	55.79
	98	C	C37	DEPA	1	1
	15.14	13.66	54.76
	99	H	H7X	DEPA	1	1
	15.5	14.63	55.14
	100	H	H7Y	DEPA	1	1
	14.07	13.77	54.9
	101	C	C38	DEPA	1	1
	15.52	13.34	53.31
	102	H	H8X	DEPA	1	1
	14.9	13.76	52.51
	103	H	H8Y	DEPA	1	1
	15.41	12.25	53.13
	104	C	C39	DEPA	1	1
	16.91	13.83	52.93
	105	H	H9X	DEPA	1	1
	17.07	13.5	51.88
	106	H	H9Y	DEPA	1	1
	17.67	13.34	53.57
	107	C	C310	DEPA	1	1
	17.06	15.35	53
	108	H	H10X	DEPA	1	1
	17.05	15.7	54.06
	109	H	H10Y	DEPA	1	1
	16.2	15.85	52.51
	110	C	C311	DEPA	1	1
	18.37	15.8	52.36
	111	H	H11X	DEPA	1	1
	19.25	15.37	52.88
	112	H	H11Y	DEPA	1	1
	18.45	16.88	52.59
	113	C	C312	DEPA	1	1
	18.49	15.46	50.84
	114	H	H12X	DEPA	1	1
	18.71	14.38	50.71
	115	H	H12Y	DEPA	1	1
	19.39	16	50.46
	116	C	C313	DEPA	1	1
	17.26	15.88	50.06
	117	H	H13X	DEPA	1	1
	16.93	16.86	50.32
	118	C	C314	DEPA	1	1
	16.34	15.27	49.31
	119	H	H14X	DEPA	1	1
	15.59	15.92	48.82
	120	C	C315	DEPA	1	1
	16.26	13.83	48.98
	121	H	H15X	DEPA	1	1
	15.29	13.46	49.36
	122	H	H15Y	DEPA	1	1
	17.06	13.28	49.52
	123	C	C316	DEPA	1	1
	16.38	13.55	47.48
	124	H	H16X	DEPA	1	1
	16.41	12.44	47.37
	125	H	H16Y	DEPA	1	1
	17.37	13.93	47.13
	126	C	C317	DEPA	1	1
	15.29	14.14	46.58
	127	H	H17X	DEPA	1	1
	15.11	15.22	46.75
	128	H	H17Y	DEPA	1	1
	14.32	13.61	46.75
	129	C	C318	DEPA	1	1
	15.71	13.95	45.12
	130	H	H18X	DEPA	1	1
	14.82	13.91	44.44
	131	H	H18Y	DEPA	1	1
	16.29	13.01	45.06
	132	C	C319	DEPA	1	1
	16.71	14.96	44.6
	133	H	H19X	DEPA	1	1
	17.61	15.04	45.24
	134	H	H19Y	DEPA	1	1
	16.23	15.95	44.56
	135	C	C320	DEPA	1	1
	17.1	14.61	43.18
	136	H	H20X	DEPA	1	1
	16.2	14.25	42.62
	137	H	H20Y	DEPA	1	1
	17.87	13.81	43.14
	138	C	C321	DEPA	1	1
	17.56	15.85	42.45
	139	H	H21X	DEPA	1	1
	18.47	16.28	42.93
	140	H	H21Y	DEPA	1	1
	16.76	16.62	42.53
	141	C	C322	DEPA	1	1
	17.76	15.51	40.99
	142	H	H22X	DEPA	1	1
	17.45	16.4	40.45
	143	H	H22Y	DEPA	1	1
	18.81	15.23	40.77
	144	H	H22Z	DEPA	1	1
	17.07	14.73	40.62

##########
## CELL ##
##########

_cell.entry_id	DEPA
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

